2-[(11-hydroxy-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid
| Internal ID | cde53418-bcc2-4cb3-9f7a-b7217cdbf64d |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 2-[(11-hydroxy-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid |
| SMILES (Canonical) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OS(=O)(=O)CC(=O)O)O)C=C1 |
| SMILES (Isomeric) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OS(=O)(=O)CC(=O)O)O)C=C1 |
| InChI | InChI=1S/C19H21NO7S/c1-26-14-3-2-13-5-7-20-6-4-12-8-16(21)17(9-15(12)19(13,20)10-14)27-28(24,25)11-18(22)23/h2-3,5,8-9,14,21H,4,6-7,10-11H2,1H3,(H,22,23) |
| InChI Key | FESQVDOEHMLQJE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO7S |
| Molecular Weight | 407.40 g/mol |
| Exact Mass | 407.10387318 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 2-[(11-hydroxy-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/73576650-851f-11ee-9110-6f42cc137095.jpg "2D Structure of 2-[(11-hydroxy-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.21% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.59% | 95.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.47% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.93% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.87% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.61% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.31% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.52% | 86.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.97% | 96.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.61% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.36% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.87% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.72% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.22% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Erythrina fusca |
| PubChem | 12308893 |
| LOTUS | LTS0054112 |
| wikiData | Q105297393 |